[1] |
Min Cheng, Shihui Wang, Lei Luo, Li Zhou, Kexin Bi, Yiyang Dai, Xu Ji.
Large-Scale Computational Screening of Metal-Organic Framework Membranes for Ethane/Ethylene Separation
[J]. Acta Chimica Sinica, 2022, 80(9): 1277-1288.
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[2] |
Shihui Wang, Xiaoyu Xue, Min Cheng, Shaochen Chen, Chong Liu, Li Zhou, Kexin Bi, Xu Ji.
High-Throughput Computational Screening of Metal-Organic Frameworks for CH4/H2 Separation by Synergizing Machine Learning and Molecular Simulation
[J]. Acta Chimica Sinica, 2022, 80(5): 614-624.
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[3] |
Lei Yang, Yujing Wu, Xuanjun Wu, Weiquan Cai.
High-throughput Screening of Real Metal-organic Frameworks for Adsorption Separation of C4 Olefins
[J]. Acta Chimica Sinica, 2021, 79(4): 520-529.
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[4] |
Cai Chengzhi, Li Lifeng, Deng Xiaomei, Li Shuhua, Liang Hong, Qiao Zhiwei.
Machine Learning and High-throughput Computational Screening of Metal-organic Framework for Separation of Methane/ethane/propane
[J]. Acta Chimica Sinica, 2020, 78(5): 427-436.
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[5] |
Liu Zhilu, Li Wei, Liu Hao, Zhuang Xudong, Li Song.
Research Progress of High-throughput Computational Screening of Metal-Organic Frameworks
[J]. Acta Chim. Sinica, 2019, 77(4): 323-339.
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[6] |
Yang Wenyuan, Liang Hong, Qiao Zhiwei.
High-Throughput Screening of Metal-Organic Frameworks for the Separation of Hydrogen Sulfide and Carbon Dioxide from Natural Gas
[J]. Acta Chim. Sinica, 2018, 76(10): 785-792.
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[7] |
Liu Bei, Lian Yuanhui, Li Zhi, Chen Guangjin.
Molecular Simulation of Drug Adsorption and Diffusion in Bio-MOFs
[J]. Acta Chimica Sinica, 2014, 72(8): 942-948.
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[8] |
Liu Bei, Tang Lixing, Lian Yuanhui, Li Zhi, Sun Changyu, Chen Guangjin.
Study on Separation Performance of Metal-organic Frameworks with Interpenetration and Mixed-ligand
[J]. Acta Chimica Sinica, 2013, 71(06): 920-928.
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[9] |
WANG Gong-Ke, XI Hui, TIAN Fang, HAN Meng-Ying, LU Yan.
Mechanism of Molecular Interaction between Ethionamide and Papain: Spectroscopic and Molecular Simulation Investigations
[J]. Acta Chimica Sinica, 2011, 69(01): 95-100.
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[10] |
WANG Hong-Yin, LIN Dong-Qiang, YAO Shan-Jing, YUAN Jun-Xian, YAO Ke-Jian.
Molecular Simulation of the Interactions between 4-Mercaptoethyl-pyridine Ligand and IgG
[J]. Acta Chimica Sinica, 2010, 68(16): 1597-1602.
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[11] |
HU Xiao-Ying, LI Yang, ZHANG Hui, HE Xiu-Juan, XUE Yu-Zhi, WANG Ping, YANG Jing-Li.
Molecular Dynamics Simulation of Foam Films and Analysis of Foam Drainage Mechanism
[J]. Acta Chimica Sinica, 2010, 68(02): 131-135.
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[12] |
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Spectrum Analysis and Adsorption Characteristics of Bensulfuron- methyl Molecularly Imprinted Polymers
[J]. Acta Chimica Sinica, 2009, 67(7): 687-692.
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[13] |
HUANG Qian, LI Yang, ZHANG Hui, SONG Xin-Wang, LI Quan-Wei, CAO Xu-Long, LI Zhen-Quan.
Environmental-responsive Behavior of Poly(Acrylic Acid)
[J]. Acta Chimica Sinica, 2009, 67(21): 2421-2426.
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[14] |
FENG Hai-Jun, ZHOU Jian, LIU Xiao-Hua.
Molecular Dynamics Simulations on the Interfacial Structures of Electrolyte Solutions
[J]. Acta Chimica Sinica, 2009, 67(21): 2407-2412.
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[15] |
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Study on the influence of Mg2+on interaction between HIV-1 integrase and thiazolothiazepines inhibitors with molecular simulation methods
[J]. Acta Chimica Sinica, 2008, 66(7): 817-822.
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